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| CAS No.: | 15519-86-5 |
|---|---|
| Name: | MALEIC ACID MONO ETHANOLAMIDE |
| Molecular Structure: | |
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| Formula: | C6H9NO4 |
| Molecular Weight: | 159.142 |
| Synonyms: | 2-Butenoicacid, 4-[(2-hydroxyethyl)amino]-4-oxo-, (Z)-;Maleamic acid,N-(2-hydroxyethyl)- (7CI);Maleic acid monoethanolamide;N-(2-Hydroxyethyl)maleamic acid;(Z)-4-(2-Hydroxyethylamino)-4-oxobut-2-enoic acid;(2Z)-4-[(2-Hydroxyethyl)amino]-4-oxobut-2-enoic acid; |
| Density: | 1.334 g/cm3 |
| Melting Point: | 75°C |
| Boiling Point: | 478 °C at 760 mmHg |
| Flash Point: | 242.9 °C |
| PSA: | 86.63000 |
| LogP: | -0.87340 |
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Specification
The 2-Butenoic acid,4-[(2-hydroxyethyl)amino]-4-oxo-, (2Z)-, with the CAS registry number 15519-86-5, is also known as Maleic acid monoethanolamide. This chemical's molecular formula is C6H9NO4 and molecular weight is 159.14. What's more, its systematic name is (Z)-4-(2-hydroxyethylamino)-4-oxobut-2-enoic acid.
Physical properties of 2-Butenoic acid,4-[(2-hydroxyethyl)amino]-4-oxo-, (2Z)- are: (1)ACD/LogP: -1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.08; (4)ACD/LogD (pH 7.4): -5.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 36.62 cm3; (15)Molar Volume: 119.2 cm3; (16)Polarizability: 14.52×10-24cm3; (17)Surface Tension: 58.3 dyne/cm; (18)Density: 1.334 g/cm3; (19)Flash Point: 242.9 °C; (20)Enthalpy of Vaporization: 85.53 kJ/mol; (21)Boiling Point: 478 °C at 760 mmHg; (22)Vapour Pressure: 3.8E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CO)NC(=O)C=CC(=O)O
(2)Isomeric SMILES: C(CO)NC(=O)/C=C\C(=O)O
(3)InChI: InChI=1S/C6H9NO4/c8-4-3-7-5(9)1-2-6(10)11/h1-2,8H,3-4H2,(H,7,9)(H,10,11)/b2-1-
(4)InChIKey: YWZDWRATWVGEFU-UPHRSURJSA-N